Microscopic description of small doped 3 He clusters through the Full-Configuration-Interaction Nuclear Orbital approach : the ( 3 He ) NBr 2 ( X ) case revisited

We have completed our previous study on small (He)N -Br2(X) clusters [J. Chem. Phys. (Communication) 125, 221101 (2006)] by using larger one-particle basis sets and an enhanced implementation of the full-configuration-interaction nuclear orbital treatment to calculate ground and excited “solvent” states of small doped HeN clusters [J. Chem. Phys. 131… CONTINUE READING